Structural Biology provides a view of life at the molecular and atomic levels. We offer support services and access to state-of-the-art instruments to determine macromolecular X-ray crystal structures and to investigate protein-protein, protein-nucleic acid or protein-small molecule interactions. The Department of Integrative Structural and Computational Biology has considerable expertise in structural, biophysical and computational approaches to tackle the most pressing problems and challenges in the biological and biomedical sciences.
Structural and Computational Biology are continuously evolving with significant recent advances, particularly in cryo-electron microscopy and with the x-ray free-electron laser. Such advances in technologies, methodologies and accelerated throughput are enabling the determination of structures of macromolecules and assemblies of increasing complexity and at greater speeds. Challenging structural targets, which only a few years ago seemed impossible, are now being solved with remarkable regularity. In addition, powerful computation and bioinformatics are playing an increasingly important role in all facets of biological research. Thus, the integration of computational methods with the current arsenal of biophysical techniques is critical for addressing complex biological systems. The advent of integrative and hybrid methods is already paying huge dividends where seemingly intractable problems can be approached using a combination of methods.
The foundation of the department is our illustrious and dedicated faculty and their groups who are well versed in cutting-edge biophysical techniques, including electron microscopy, x-ray crystallography, nuclear magnetic resonance, mass spectrometry, single-molecule biophysics and computational biology. Our faculties work in many diverse fields, which include infectious disease, immunology, neurobiology, cell biology, cancer biology and molecular biology, and on specific areas, such as structure-based vaccine design, intrinsically disordered proteins, membrane proteins, enzyme mechanisms, metalloproteins, nuclear receptors, cell adhesion, RNA-protein complexes, DNA repair, protein–ligand docking, metabolomic and genomic informatics, metabolic, proteomic and transcriptional regulation and drug discovery. The department is dedicated to research and training in all areas of biophysics and computational biology especially as they pertain to the next generation of challenges and opportunities in the biological and biomedical sciences.
Computational Biology & Molecular Modeling
– Structural-Based Drug Design (SBDD)
– De novo Drug Design
– Virtual Drug Screening
– Quantitative Structure-Activity Relationship (QSAR)
– ADMET Property Optimization
Fragment Based Drug Discovery (FBDD) Services
– In-house fragment library designed by medicinal chemists
– Construct focused library on the target knowledge using molecular modeling
– Screen fragments mainly using X-ray technology
– Design novel scaffolds based on crystal structures
Structural Biology Services
Integrated Drug Discovery Support
• Gene to Structure, Protein to Structure
• Ligand-bound structures
• Sructure refinement and annotation
• Crystal image annotation
• Low Endotoxin Proteins for Therapeutics
• Cell Line Generation
Reagents and Cell Line Generation
Kinases, Carboxylases, Ion channels, GPCRs, Decarboxylases, Hydrolases,Transcription factors, NHRs, lipases, Synthetases, Reporter gene constructs, CYPs, etc.
Targets for Crystal Structures
Kinases, Phosphatases, Proteases, Carboxylases, NHRs, Hydrolases, Decarboxylases, Apoptotic proteins, Transferases, ß-lactamases, Deaminases, Fab, Fab-antigen complexes, Epigenetic targets, Interleukins etc.
Key Features of Structural Biology
Platform: Services cover all stages of structure determination-from gene synthesis, high purity protein production, crystallization screening to structure determination
Structure-function relationships: Probing the detailed correlation between structure and function through structure, complex and dynamics analysis of proteins
Technologies: Achieve better understanding of protein folding and function through structure analysis by X-ray crystallography and/or NMR spectroscopy
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